N-(1,3-benzodioxol-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

C20H17N3O4 — CID 15951673

IUPACN-(1,3-benzodioxol-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc5c(c4)OCO5)cc3c21
InChIInChI=1S/C20H17N3O4/c1-10-8-21-20(25)18-17(10)13-6-11(2-4-14(13)23-18)19(24)22-12-3-5-15-16(7-12)27-9-26-15/h2-7,10,23H,8-9H2,1H3,(H,21,25)(H,22,24)
InChIKeyAVPRUXWOEBYLHN-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.00
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

N-(1,3-benzodioxol-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (PubChem CID 15951673) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
PubChem CID15951673
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc5c(c4)OCO5)cc3c21
InChIInChI=1S/C20H17N3O4/c1-10-8-21-20(25)18-17(10)13-6-11(2-4-14(13)23-18)19(24)22-12-3-5-15-16(7-12)27-9-26-15/h2-7,10,23H,8-9H2,1H3,(H,21,25)(H,22,24)
InChIKeyAVPRUXWOEBYLHN-UHFFFAOYSA-N
XLogP3.00
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 46851093
4-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15952933
N-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15952249
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,3-benzodioxole-5-carboxamide
CID 9145088
methyl 4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrido[4,3-b]indole-8-carbonyl)amino]benzoate
CID 58768502
N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39877251
N-(1,3-benzodioxol-5-yl)-4-(2-methylpropanoylamino)benzamide
CID 970946
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide
CID 107980044
N-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 63252648
N-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 20857409
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (CID 15951673) is N-(1,3-benzodioxol-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc5c(c4)OCO5)cc3c21.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The InChIKey is AVPRUXWOEBYLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-10-8-21-20(25)18-17(10)13-6-11(2-4-14(13)23-18)19(24)22-12-3-5-15-16(7-12)27-9-26-15/h2-7,10,23H,8-9H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is sourced from PubChem (CID 15951673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).